SCHEMBL21087535

SCHEMBL21087535

c1ccc(CN(Cc2ccccc2)SCSN(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TSHR P16473 3/20 0.48
AOC3 Q16853 1/20 0.44
MGLL Q99685 3/20 0.43
CA2 P00918 1/20 0.40
CALM1 P0DP23 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38
SLC6A3 Q01959 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL333424 0.79 ALDH1A1 (0.52) ALDH1A1TSHRAOC3MGLLCA2
SCHEMBL21087583 0.76 TSHR (0.56) ALDH1A1TSHRAOC3MGLLCA2
SCHEMBL2565168 0.71 TSHR (0.52) ALDH1A1TSHRAOC3MGLLCARM1
SCHEMBL21087587 0.70 ALDH1A1 (0.43) ALDH1A1TSHRAOC3MGLLCA2
SCHEMBL3271148 0.69 TSHR (0.60) ALDH1A1TSHRAOC3MGLLCA2
SCHEMBL134524 0.69 TSHR (0.60) ALDH1A1TSHRAOC3MGLLCA2
SCHEMBL21034084 0.69 TSHR (0.48) ALDH1A1TSHRAOC3MGLLCARM1
Fluoride SCHEMBL633879 0.67 CNR2 (0.58) ALDH1A1TSHRAOC3MGLLCA2
Hydrochloric Acid SCHEMBL2137949 0.67 CNR2 (0.58) ALDH1A1TSHRAOC3MGLLCA2
Bromide SCHEMBL6760453 0.67 CNR2 (0.58) ALDH1A1TSHRAOC3MGLLCA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10615456-B2 Additive for nonaqueous electrolyte solutions, nonaqueous electrolyte solution and electricity storage device SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2020-04-07 US disclosed
US-10573929-B2 2020-02-25 US disclosed
US-20190181499-A1 ADDITIVE FOR NONAQUEOUS ELECTROLYTE SOLUTIONS, NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY STORAGE DEVICE SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2019-06-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10615456-B2 Additive for nonaqueous electrolyte solutions, nonaqueous electrolyte solution and electricity storage device SLC9A1, SLC26A3, SCNN1A ALDH1A1 715/4885TSHR 2532/4885AOC3 2878/4885
US-10573929-B2 SLC26A3, SLC9A1, CLIC1 ALDH1A1 559/4885TSHR 2479/4885AOC3 2714/4885
US-20190181499-A1 ADDITIVE FOR NONAQUEOUS ELECTROLYTE SOLUTIONS, NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY STORAGE DEVICE SLC9A1, SLC26A3, SCNN1A ALDH1A1 715/4885TSHR 2532/4885AOC3 2878/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.